CID 126961215

2-chloro-2-(4-chloro-5-oxo-2h-furan-2-yl)acetate

Structural Information

Molecular Formula
C6H4Cl2O4
SMILES
C1=C(C(=O)OC1C(C(=O)O)Cl)Cl
InChI
InChI=1S/C6H4Cl2O4/c7-2-1-3(12-6(2)11)4(8)5(9)10/h1,3-4H,(H,9,10)
InChIKey
CQADNSGGFXZZFU-UHFFFAOYSA-N
Compound name
2-chloro-2-(4-chloro-5-oxo-2H-furan-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

209.94867 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.95595 136.0
[M+Na]+ 232.93789 145.9
[M-H]- 208.94139 139.0
[M+NH4]+ 227.98249 155.9
[M+K]+ 248.91183 143.2
[M+H-H2O]+ 192.94593 133.5
[M+HCOO]- 254.94687 148.0
[M+CH3COO]- 268.96252 179.3
[M+Na-2H]- 230.92334 138.3
[M]+ 209.94812 139.5
[M]- 209.94922 139.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.